2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole

C17H7ClF6N4S — CID 2820993

IUPAC2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole
SMILESFC(F)(F)c1cc(C(F)(F)F)n2ncc(-c3nc(-c4ccc(Cl)cc4)cs3)c2n1
InChIInChI=1S/C17H7ClF6N4S/c18-9-3-1-8(2-4-9)11-7-29-15(26-11)10-6-25-28-13(17(22,23)24)5-12(16(19,20)21)27-14(10)28/h1-7H
InChIKeyMUWFUQWNYWJTCC-UHFFFAOYSA-N
MW448.78 g/mol
LogP6.21
Rot. Bonds2

About 2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole

2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole (PubChem CID 2820993) has the molecular formula C17H7ClF6N4S and a molecular weight of 448.78 g/mol. Its IUPAC name is 2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole
PubChem CID2820993
Molecular FormulaC17H7ClF6N4S
Molecular Weight448.78 g/mol
Exact Mass448.00
IUPAC Name2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole
SMILESFC(F)(F)c1cc(C(F)(F)F)n2ncc(-c3nc(-c4ccc(Cl)cc4)cs3)c2n1
InChIInChI=1S/C17H7ClF6N4S/c18-9-3-1-8(2-4-9)11-7-29-15(26-11)10-6-25-28-13(17(22,23)24)5-12(16(19,20)21)27-14(10)28/h1-7H
InChIKeyMUWFUQWNYWJTCC-UHFFFAOYSA-N
XLogP6.21
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole?
The IUPAC name of 2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole (CID 2820993) is 2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole is FC(F)(F)c1cc(C(F)(F)F)n2ncc(-c3nc(-c4ccc(Cl)cc4)cs3)c2n1.
What is the InChIKey of 2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole?
The InChIKey is MUWFUQWNYWJTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7ClF6N4S/c18-9-3-1-8(2-4-9)11-7-29-15(26-11)10-6-25-28-13(17(22,23)24)5-12(16(19,20)21)27-14(10)28/h1-7H.
What are the key properties of 2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole?
2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole has a molecular weight of 448.78 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 2820993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).